SCHEMBL1749453

SCHEMBL1749453

CN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(N2CC(C(=O)O)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
MCHR1 Q99705 1/20 0.43
RECQL P46063 1/20 0.43
ALOX12 P18054 1/20 0.41
KMT2A Q03164 2/20 0.41
GRK2 P25098 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MAOA P21397 1/20 0.41
PTPN1 P18031 1/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6268574 0.86 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL6206173 0.85 MCHR1 (0.43) MCHR1ALOX12MAOAMAPT
SCHEMBL1749049 0.85 TP53 (0.43) POLBMCHR1ALOX12MAPT
SCHEMBL1749048 0.84 MCHR1 (0.42) POLBMCHR1ALOX12MAOAMAPT
SCHEMBL1749047 0.81 MCHR1 (0.42) POLBMCHR1ALOX12MAPT
SCHEMBL1749455 0.79 HAO1 (0.45) CA12CA1CA2CA4CA6
SCHEMBL1749247 0.77 MCHR1 (0.44) MCHR1MAOAHIF1A
SCHEMBL1749476 0.76 MCHR1 (0.46) MCHR1MAOAGLA
SCHEMBL1749595 0.76 MCHR1 (0.50) MCHR1KMT2AMAOAGAAMAPT
SCHEMBL5844388 0.76 CA12 (0.60) CA12CA1CA2CA4CA6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 CA12 2577/4885CA1 1360/4885CA2 957/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 CA12 2612/4885CA1 1664/4885CA2 1000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.